Compound Detail
CHEMBL315670
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COc1cc([C@H]2Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O
Basic Information
| ChEMBL ID | CHEMBL315670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVKQRAYKLBRNIK-HYBUGGRVSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
480.4
MW (Da)
3.16
ALogP
10
HBA
5
HBD
159.1
PSA (Ų)
0.29
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.57
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 27000.0 | nM | 4.57 | Antioxidant activity assessed as DPPH radical scavenging activity after 10 mins | 25442301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26273725 | 10.1021/acs.jnatprod.5b00430 | Staphylococcus aureus | 4 |
| 11170636 | 10.1021/jm0004190 | Staphylococcus aureus | 1 |
| 25442301 | 10.1016/j.bmcl.2014.10.023 | No relevant target | 1 |
| 28042452 | 10.1039/C6MD00287K | Solute carrier family 2, facilitated glucose transporter member 4 | 1 |
Data from ChEMBL 36 via Core Engine